(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one

C13H25NO — CID 875586

IUPAC(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCCC[C@H]1CC
InChIInChI=1S/C13H25NO/c1-4-8-11(3)13(15)14-10-7-6-9-12(14)5-2/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyGKWKSBISNZDDNJ-VXGBXAGGSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds4

About (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one

(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one (PubChem CID 875586) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
PubChem CID875586
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCCC[C@H]1CC
InChIInChI=1S/C13H25NO/c1-4-8-11(3)13(15)14-10-7-6-9-12(14)5-2/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyGKWKSBISNZDDNJ-VXGBXAGGSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one (CID 875586) is (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one is CCC[C@@H](C)C(=O)N1CCCC[C@H]1CC.
What is the InChIKey of (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is GKWKSBISNZDDNJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-11(3)13(15)14-10-7-6-9-12(14)5-2/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one?
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 875586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).